N-[(4-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: N-[(4-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-(p-tolylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-[(4-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-[(4-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-(4-methylbenzyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C20H22F3N3S MolecularWeight: 393.46899

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3N3S/c1-15-5-7-16(8-6-15)14-24-19(27)26-11-9-25(10-12-26)18-4-2-3-17(13-18)20(21,22)23/h2-8,13H,9-12,14H2,1H3,(H,24,27)